General Information of the Compound
| Compound ID |
CP0431769
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| Compound Name |
US8835436, Example 98
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| Structure |
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| Formula |
C23H34ClN5O2
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| Molecular Weight |
448.011
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| Canonical SMILES |
CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
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| InChI |
InChI=1S/C23H34ClN5O2/c1-5-9-29-17(3)22(26-18(29)4)23(31)25-14-19(30)15-27-10-12-28(13-11-27)21-8-6-7-20(24)16(21)2/h6-8,19,30H,5,9-15H2,1-4H3,(H,25,31)
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| InChIKey |
ULVJNAKJPCJFNL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter